#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2emi s SER 2 N 0.00 -0.46 0.95 1.61 1.04 -1.26 -5.17 113.70 110.42 2emi s SER 2 Ca 0.00 0.89 -0.12 0.00 0.48 0.00 0.00 55.95 57.19 2emi s SER 2 Cb 0.00 0.89 0.16 0.00 0.10 0.00 0.00 66.02 67.17 2emi s SER 2 CO 0.00 -0.16 1.11 -0.94 0.98 0.00 0.00 173.24 174.23 2emi s SER 3 N 0.32 3.05 -0.33 7.02 1.04 -1.26 -5.03 113.70 118.52 2emi s SER 3 Ca -0.01 1.14 0.03 0.00 0.48 0.00 0.00 55.95 57.59 2emi s SER 3 Cb -0.03 -1.79 0.15 0.00 0.10 0.00 0.00 66.02 64.45 2emi s SER 3 CO -0.00 -2.86 1.16 0.61 0.98 0.00 0.00 173.24 173.13 2emi n GLY 4 N -1.50 -0.72 3.29 7.32 0.00 -1.26 -5.16 105.19 107.16 2emi n GLY 4 Ca 0.06 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 46.07 2emi n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2emi s SER 5 N -0.29 2.29 0.15 1.61 1.04 -1.26 -5.16 113.70 112.09 2emi s SER 5 Ca 0.09 -0.89 0.04 0.00 0.48 0.00 0.00 55.95 55.67 2emi s SER 5 Cb 0.15 -0.10 -0.04 0.00 0.10 0.00 0.00 66.02 66.13 2emi s SER 5 CO -0.06 -0.14 0.15 -0.94 0.98 0.00 0.00 173.24 173.23 2emi s SER 6 N -2.77 5.65 0.00 7.02 1.04 -1.26 -5.09 113.70 118.28 2emi s SER 6 Ca 0.14 -0.07 0.00 0.00 0.48 0.00 0.00 55.95 56.50 2emi s SER 6 Cb -0.03 -1.52 0.00 0.00 0.10 0.00 0.00 66.02 64.57 2emi s SER 6 CO 0.05 0.07 0.00 0.61 0.98 0.00 0.00 173.24 174.95 2emi n GLY 7 N -0.31 -0.19 3.26 7.32 0.00 -1.26 -4.92 105.19 109.10 2emi n GLY 7 Ca -0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 2emi n GLY 7 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2emi s THR 8 N 0.20 5.28 -0.20 2.61 -4.23 -1.26 -4.81 115.64 113.23 2emi s THR 8 Ca 0.00 -3.09 -0.12 0.00 -1.18 0.00 0.00 61.69 57.30 2emi s THR 8 Cb 0.00 -4.24 -0.08 0.00 1.34 0.00 0.00 72.50 69.51 2emi s THR 8 CO 0.00 -1.07 -0.29 0.61 -0.54 0.00 0.00 174.62 173.33 2emi n GLY 9 N 3.20 -0.38 3.66 3.99 0.00 -1.26 -4.95 105.19 109.45 2emi n GLY 9 Ca 0.18 -0.15 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 2emi n GLY 9 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2emi s GLU 10 N -2.48 4.14 -0.42 1.61 -1.05 -1.26 -4.97 118.70 114.27 2emi s GLU 10 Ca -0.29 0.17 0.04 0.00 -0.15 0.00 0.00 54.97 54.74 2emi s GLU 10 Cb 0.10 -3.56 0.45 0.00 -0.44 0.00 0.00 34.13 30.68 2emi s GLU 10 CO 0.38 -0.09 1.41 0.54 0.95 0.00 0.00 175.26 178.45 2emi n ARG 11 N 4.66 3.35 -3.46 -4.83 1.74 -1.26 -5.00 116.66 111.86 2emi n ARG 11 Ca -0.08 -3.98 -0.12 0.00 -0.77 0.00 0.00 57.85 52.90 2emi n ARG 11 Cb 0.51 -2.28 -0.03 0.00 -1.02 0.00 0.00 32.46 29.65 2emi n ARG 11 CO 0.00 0.00 0.00 -3.38 -1.52 0.00 0.00 177.63 172.73 2emi s HIS 12 N -3.67 -0.50 0.16 -1.55 -3.43 -1.26 -5.02 115.29 100.03 2emi s HIS 12 Ca 0.54 0.41 -0.22 0.00 -0.80 0.00 0.00 55.06 54.99 2emi s HIS 12 Cb 0.43 0.53 -0.08 0.00 -1.43 0.00 0.00 32.58 32.04 2emi s HIS 12 CO -0.02 -0.74 0.70 0.71 -2.00 0.00 0.00 174.74 173.40 2emi s TYR 13 N -3.22 3.79 0.05 0.38 1.51 -0.96 -4.93 117.35 113.98 2emi s TYR 13 Ca 0.00 1.45 0.07 0.00 -1.01 0.00 0.00 57.07 57.58 2emi s TYR 13 Cb -0.01 -2.64 -0.03 0.00 -0.11 0.00 0.00 41.96 39.18 2emi s TYR 13 CO -0.09 0.47 -0.19 -1.21 -1.11 0.00 0.00 175.55 173.42 2emi s GLU 14 N -1.45 1.22 -0.36 -0.62 2.02 -1.26 -0.26 118.70 117.99 2emi s GLU 14 Ca 0.37 -0.94 -0.29 0.00 0.02 0.00 0.00 54.97 54.13 2emi s GLU 14 Cb -0.20 -1.33 0.02 0.00 0.10 0.00 0.00 34.13 32.72 2emi s GLU 14 CO 0.22 0.33 1.13 0.00 0.02 0.00 0.00 175.26 176.97 2emi n SER 16 N 7.26 5.75 0.00 0.00 7.64 -1.26 -2.76 113.62 130.26 2emi n SER 16 Ca 0.12 -2.67 0.00 0.00 1.01 0.00 0.00 58.87 57.34 2emi n SER 16 Cb 0.47 -1.15 0.00 0.00 -1.01 0.00 0.00 64.21 62.53 2emi n SER 16 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2emi n GLU 17 N 1.22 0.00 -0.03 1.43 -0.58 -1.26 -4.98 120.64 116.44 2emi n GLU 17 Ca 0.17 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.85 2emi n GLU 17 Cb 0.57 -0.22 -0.03 0.00 -0.57 0.00 0.00 31.44 31.20 2emi n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2emi n GLY 19 N 2.88 0.64 3.93 0.00 0.00 -1.11 -5.10 105.19 106.43 2emi n GLY 19 Ca -0.12 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.70 2emi n GLY 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2emi s LYS 20 N 0.00 2.53 -0.10 1.61 -0.14 -1.25 -4.90 119.74 117.50 2emi s LYS 20 Ca 0.00 -1.55 -0.04 0.00 -1.36 0.00 0.00 55.97 53.02 2emi s LYS 20 Cb 0.00 -2.47 0.05 0.00 -1.68 0.00 0.00 37.83 33.73 2emi s LYS 20 CO 0.00 -0.37 0.21 0.00 -0.76 0.00 0.00 175.35 174.44 2emi s ALA 21 N -2.51 -0.42 0.30 5.17 0.00 -1.26 -1.21 121.76 121.82 2emi s ALA 21 Ca 0.50 0.84 0.08 0.00 0.00 0.00 0.00 51.96 53.37 2emi s ALA 21 Cb -0.05 -0.71 -0.06 0.00 0.00 0.00 0.00 23.12 22.30 2emi s ALA 21 CO 0.30 -0.35 -0.09 -0.06 0.00 0.00 0.00 175.76 175.56 2emi s PHE 22 N 1.68 2.11 -0.04 0.00 0.40 0.64 -5.00 117.98 117.76 2emi s PHE 22 Ca -0.05 -0.60 -0.20 0.00 -0.60 0.00 0.00 56.93 55.48 2emi s PHE 22 Cb -0.11 -1.17 -0.31 0.00 0.51 0.00 0.00 43.02 41.93 2emi s PHE 22 CO -0.07 0.41 0.86 0.97 0.70 0.00 0.00 175.22 178.09 2emi h ILE 23 N 2.21 1.42 -3.65 0.64 2.10 -1.95 -2.54 117.51 115.74 2emi h ILE 23 Ca -0.40 -2.54 -0.67 0.00 1.08 0.00 0.00 64.86 62.32 2emi h ILE 23 Cb 1.24 3.12 -0.18 0.00 -1.09 0.00 0.00 36.82 39.91 2emi h ILE 23 CO 0.67 0.73 -0.72 -1.10 -1.08 0.00 0.00 178.15 176.65 2emi s GLN 24 N -2.46 2.44 0.15 2.19 -1.52 -1.26 -4.52 119.66 114.68 2emi s GLN 24 Ca -0.14 -0.79 -0.17 0.00 -1.95 0.00 0.00 55.36 52.31 2emi s GLN 24 Cb 0.02 -2.44 0.02 0.00 -0.22 0.00 0.00 33.01 30.39 2emi s GLN 24 CO 0.84 0.58 1.79 -0.22 -0.25 0.00 0.00 175.29 178.03 2emi h LYS 25 N 4.41 0.40 -0.51 2.91 3.64 -1.95 -2.66 116.57 122.81 2emi h LYS 25 Ca -0.48 -0.02 0.10 0.00 -1.27 0.00 0.00 60.65 58.97 2emi h LYS 25 Cb 1.17 -0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.81 2emi h LYS 25 CO 0.53 0.27 0.02 1.03 -2.27 0.00 0.00 179.45 179.03 2emi h SER 26 N 0.41 -0.17 -0.86 4.20 0.87 -2.00 -0.59 113.55 115.41 2emi h SER 26 Ca 0.14 0.12 0.11 0.00 -1.23 0.00 0.00 61.79 60.92 2emi h SER 26 Cb 0.01 0.20 -0.08 0.00 -0.44 0.00 0.00 62.40 62.09 2emi h SER 26 CO -0.07 -0.06 0.50 0.74 -0.53 0.00 0.00 176.83 177.42 2emi h THR 27 N 0.14 0.89 -0.40 2.23 2.02 -1.90 -1.76 112.91 114.13 2emi h THR 27 Ca 0.26 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 67.13 2emi h THR 27 Cb 0.38 0.01 -0.02 0.00 -1.74 0.00 0.00 68.15 66.78 2emi h THR 27 CO -0.41 0.15 0.15 0.25 0.37 0.00 0.00 175.52 176.03 2emi h LEU 28 N 0.81 0.56 -1.05 2.58 5.85 -0.90 -2.74 115.31 120.42 2emi h LEU 28 Ca 0.42 -0.18 0.15 0.00 0.84 0.00 0.00 57.88 59.12 2emi h LEU 28 Cb 0.42 -0.15 -0.09 0.00 0.37 0.00 0.00 40.66 41.21 2emi h LEU 28 CO -0.26 0.59 0.62 -1.28 -0.34 0.00 0.00 178.44 177.77 2emi h SER 29 N 0.51 0.83 0.26 1.25 0.87 -0.41 0.40 113.55 117.26 2emi h SER 29 Ca 0.13 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.74 2emi h SER 29 Cb 0.21 -0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.07 2emi h SER 29 CO -0.01 0.38 -0.09 0.24 -0.53 0.00 0.00 176.83 176.82 2emi h MET 30 N 0.86 0.00 0.01 2.24 2.86 -1.15 -3.04 114.93 116.71 2emi h MET 30 Ca 0.52 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.94 2emi h MET 30 Cb 0.70 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.33 2emi h MET 30 CO -0.30 0.09 -1.22 1.25 1.06 0.00 0.00 176.91 177.80 2emi h HIS 31 N 0.00 0.06 -0.26 -0.22 -0.00 -0.31 -3.35 115.15 111.07 2emi h HIS 31 Ca -0.00 -0.04 0.07 0.00 -0.00 0.00 0.00 60.37 60.40 2emi h HIS 31 Cb 0.25 -0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.65 2emi h HIS 31 CO 0.00 1.48 0.80 1.96 -0.00 0.00 0.00 177.93 182.17 2emi h GLN 32 N -0.89 0.00 -0.73 5.26 4.20 -0.62 0.19 115.11 122.52 2emi h GLN 32 Ca -0.32 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.49 2emi h GLN 32 Cb 1.35 0.00 -0.08 0.00 0.30 0.00 0.00 27.48 29.06 2emi h GLN 32 CO -0.16 0.00 0.36 0.07 -0.67 0.00 0.00 178.83 178.43 2emi h ARG 33 N 0.00 0.57 -0.61 1.46 0.11 -1.67 0.66 114.38 114.90 2emi h ARG 33 Ca 0.12 -0.03 0.18 0.00 0.10 0.00 0.00 59.98 60.35 2emi h ARG 33 Cb 1.73 -0.13 -0.02 0.00 1.11 0.00 0.00 29.97 32.65 2emi h ARG 33 CO -0.00 0.38 0.71 -0.84 0.10 0.00 0.00 179.97 180.31 2emi h ILE 34 N 0.59 0.23 0.13 0.08 3.07 -0.88 1.97 117.51 122.70 2emi h ILE 34 Ca 0.37 0.00 -0.33 0.00 1.55 0.00 0.00 64.86 66.45 2emi h ILE 34 Cb 0.43 0.43 -0.01 0.00 -0.27 0.00 0.00 36.82 37.41 2emi h ILE 34 CO -0.30 0.00 -1.71 0.45 -1.05 0.00 0.00 178.15 175.54 2emi h HIS 35 N 0.00 0.52 -0.65 0.16 3.86 -1.05 -3.37 115.15 114.61 2emi h HIS 35 Ca 0.29 -0.38 -0.41 0.00 -1.16 0.00 0.00 60.37 58.71 2emi h HIS 35 Cb 1.70 -0.02 -0.25 0.00 1.06 0.00 0.00 27.41 29.91 2emi h HIS 35 CO 0.00 1.67 0.01 2.89 0.86 0.00 0.00 177.93 183.36 2emi n ARG 36 N -3.70 2.49 0.00 2.45 -4.01 0.76 -4.96 116.66 109.68 2emi n ARG 36 Ca -0.28 -3.44 0.00 0.00 -1.04 0.00 0.00 57.85 53.09 2emi n ARG 36 Cb 0.99 -2.07 0.00 0.00 -3.04 0.00 0.00 32.46 28.35 2emi n ARG 36 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2emi n GLY 37 N -0.98 0.87 3.37 2.89 0.00 0.63 -4.93 105.19 107.05 2emi n GLY 37 Ca 0.45 -0.32 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 2emi n GLY 37 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2emi s GLU 38 N 0.65 3.03 -0.02 1.61 2.56 -1.26 -5.05 118.70 120.22 2emi s GLU 38 Ca 0.00 -1.34 0.00 0.00 0.00 0.00 0.00 54.97 53.63 2emi s GLU 38 Cb 0.00 -4.21 -0.04 0.00 2.00 0.00 0.00 34.13 31.88 2emi s GLU 38 CO 0.00 -1.32 0.02 0.15 -0.56 0.00 0.00 175.26 173.55 2emi s LYS 39 N 2.18 2.89 1.09 4.30 -0.14 -1.26 -5.12 119.74 123.69 2emi s LYS 39 Ca 0.08 -0.53 -0.15 0.00 -1.36 0.00 0.00 55.97 54.01 2emi s LYS 39 Cb -0.25 -2.74 0.23 0.00 -1.68 0.00 0.00 37.83 33.40 2emi s LYS 39 CO 0.07 0.65 1.10 -1.25 -0.76 0.00 0.00 175.35 175.15 2emi s PRO 40 N -1.44 -0.34 0.02 -1.68 0.04 -1.26 -4.87 135.00 125.47 2emi s PRO 40 Ca 0.19 0.25 -0.33 0.00 0.04 0.00 0.00 61.00 61.15 2emi s PRO 40 Cb -0.12 -1.67 -0.17 0.00 0.04 0.00 0.00 34.50 32.58 2emi s PRO 40 CO 0.09 -3.19 0.87 -1.13 0.04 0.00 0.00 177.00 173.68 2emi n SER 41 N -4.45 -0.12 -2.88 6.66 3.41 -1.26 -4.93 113.62 110.05 2emi n SER 41 Ca 0.08 0.99 -0.07 0.00 -0.26 0.00 0.00 58.87 59.62 2emi n SER 41 Cb 0.58 -0.79 -0.01 0.00 -0.26 0.00 0.00 64.21 63.73 2emi n SER 41 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2emi s GLY 42 N -0.09 -0.94 0.00 5.00 0.00 -1.26 -4.98 107.32 105.05 2emi s GLY 42 Ca 0.76 -0.62 0.11 0.00 0.00 0.00 0.00 44.72 44.97 2emi s GLY 42 CO 0.49 3.46 1.10 -1.55 0.00 0.00 0.00 173.10 176.60 2emi n PRO 43 N 3.08 0.49 -2.62 2.90 -0.04 -1.26 -4.82 135.00 132.72 2emi n PRO 43 Ca 0.19 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.58 2emi n PRO 43 Cb 0.55 -1.36 0.03 0.00 -0.04 0.00 0.00 33.50 32.68 2emi n PRO 43 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2emi n SER 44 N -0.86 -2.61 -4.47 3.54 7.64 -1.26 -4.93 113.62 110.68 2emi n SER 44 Ca 0.08 -0.19 -0.51 0.00 1.01 0.00 0.00 58.87 59.26 2emi n SER 44 Cb 0.04 -1.97 -0.05 0.00 -1.01 0.00 0.00 64.21 61.23 2emi n SER 44 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2emi n SER 45 N -0.94 -0.31 -0.78 6.43 2.88 -1.26 -5.36 113.62 114.29 2emi n SER 45 Ca -0.05 1.14 0.13 0.00 -1.33 0.00 0.00 58.87 58.76 2emi n SER 45 Cb 0.54 -1.00 0.26 0.00 -0.75 0.00 0.00 64.21 63.26 2emi n SER 45 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42